Detailed information for compound 1188187
Basic information
Technical information
- Name: Unnamed compound
- MW: 318.715 | Formula: C14H11ClN4O3
-
H donors: 1
H acceptors: 4
LogP: 2.28
Rotable bonds: 3
Rule of 5 violations (Lipinski): 1 - SMILES: Clc1ccc(cc1)n1cc(c(n1)C(=O)N1N=C(CC1=O)C)O
- InChi: 1S/C14H11ClN4O3/c1-8-6-12(21)19(16-8)14(22)13-11(20)7-18(17-13)10-4-2-9(15)3-5-10/h2-5,7,20H,6H2,1H3
- InChiKey: YYLAODGMINXHOC-UHFFFAOYSA-N
Network
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Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
No curated genes were found associated with this compound
Predicted pathogen targets for this compound
By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Chlamydia trachomatis | recombinase RecA | 0.012 | 0.0447 | 0.5 |
| Echinococcus granulosus | Basic leucine zipper bZIP transcription | 0.0036 | 0.0015 | 1 |
| Schistosoma mansoni | hypothetical protein | 0.0036 | 0.0015 | 1 |
| Echinococcus multilocularis | Basic leucine zipper (bZIP) transcription | 0.0036 | 0.0015 | 0.0037 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.0015 | 0.5 |
| Trypanosoma brucei | recA bacterial DNA recombination protein, putative | 0.0037 | 0.0019 | 0.5 |
| Trypanosoma cruzi | DNA repair protein, putative | 0.0037 | 0.0019 | 0.5 |
| Trichomonas vaginalis | set domain proteins, putative | 0.0264 | 0.1186 | 0.5 |
| Treponema pallidum | recombinase A | 0.012 | 0.0447 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.0015 | 0.5 |
| Loa Loa (eye worm) | pre-SET domain-containing protein family protein | 0.0232 | 0.1021 | 1 |
| Loa Loa (eye worm) | cytochrome P450 family protein | 0.005 | 0.0088 | 0.0863 |
| Schistosoma mansoni | transcription factor LCR-F1 | 0.0036 | 0.0015 | 1 |
| Brugia malayi | Cytochrome P450 family protein | 0.005 | 0.0088 | 0.0863 |
| Mycobacterium leprae | Conserved hypothetical protein | 0.0706 | 0.3454 | 1 |
| Brugia malayi | Pre-SET motif family protein | 0.0232 | 0.1021 | 1 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.0015 | 0.5 |
| Onchocerca volvulus | 0.0264 | 0.1186 | 1 | |
| Echinococcus multilocularis | atpase aaa+ type core atpase aaa type core | 0.0816 | 0.4018 | 1 |
| Mycobacterium ulcerans | recombinase A | 0.012 | 0.0447 | 0.5 |
| Brugia malayi | hypothetical protein | 0.0036 | 0.0015 | 0.0146 |
| Trypanosoma cruzi | DNA repair protein, putative | 0.0037 | 0.0019 | 0.5 |
| Wolbachia endosymbiont of Brugia malayi | recombinase A | 0.012 | 0.0447 | 0.5 |
| Entamoeba histolytica | hypothetical protein | 0.0036 | 0.0015 | 0.5 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| GI50 (functional) | = 0.23 uM | Growth inhibition of human SF295 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.37 uM | Growth inhibition of human NCI-H460 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.41 uM | Growth inhibition of human U251 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.42 uM | Growth inhibition of human CCRF-CEM cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.42 uM | Growth inhibition of human SR cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.45 uM | Growth inhibition of human A498 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.49 uM | Growth inhibition of human SF268 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.51 uM | Growth inhibition of human IGROV1 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.53 uM | Growth inhibition of human SNB75 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.65 uM | Growth inhibition of human K562 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.65 uM | Growth inhibition of human BT549 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.67 uM | Growth inhibition of human UO31 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.68 uM | Growth inhibition of human HCT116 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.68 uM | Growth inhibition of human HCT15 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.79 uM | Growth inhibition of human TK10 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.82 uM | Growth inhibition of human A549 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 0.88 uM | Growth inhibition of human ACHN cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.06 uM | Growth inhibition of human UACC257 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.06 uM | Growth inhibition of human Caki1 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.17 uM | Growth inhibition of human HL-60(TB) cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.2 uM | Growth inhibition of human MDA-MB-435 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.21 uM | Growth inhibition of human OVCAR-3 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.33 uM | Growth inhibition of human HOP62 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.4 uM | Growth inhibition of human NCI-H226 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.42 uM | Growth inhibition of human SN12C cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.49 uM | Growth inhibition of human OVCAR8 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.53 uM | Growth inhibition of human SKOV3 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.55 uM | Growth inhibition of human LOXIMVI cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.66 uM | Growth inhibition of human RPMI8226 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.7 uM | Growth inhibition of human SF539 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.7 uM | Growth inhibition of human SK-MEL-5 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.78 uM | Growth inhibition of human M14 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.8 uM | Growth inhibition of human UACC62 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.87 uM | Growth inhibition of human MOLT4 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 1.89 uM | Growth inhibition of human NCI/ADR-RES cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 2.21 uM | Growth inhibition of human EKVX cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 2.27 uM | Growth inhibition of human KM12 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 2.4 uM | Growth inhibition of human OVCAR4 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 2.66 uM | Growth inhibition of human T47D cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 2.84 uM | Growth inhibition of human NCI-H522 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 2.9 uM | Growth inhibition of human NCI-H23 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.06 uM | Growth inhibition of human SK-MEL-28 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.16 uM | Growth inhibition of human SNB19 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.32 uM | Growth inhibition of human OVCAR5 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.41 uM | Growth inhibition of human SW620 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.61 uM | Growth inhibition of human MCF7 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.67 uM | Growth inhibition of human HOP92 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 3.67 uM | Growth inhibition of human HCC2998 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 4.57 uM | Growth inhibition of human MDA-MB-468 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 4.81 uM | Growth inhibition of human COLO205 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 5.22 uM | Growth inhibition of human DU145 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 6.16 uM | Growth inhibition of human HT-29 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 6.45 uM | Growth inhibition of human 786-0 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
| GI50 (functional) | = 15.4 uM | Growth inhibition of human RFX393 cells after 48 hrs by sulforhodamine B assay | ChEMBL. | 20207545 |
Phenotypes
Whole-cell/tissue/organism interactions
We have no records of whole-cell/tissue assays done with this compound
What does this mean?
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- ChEMBL: CHEMBL1088976
Bibliographic References
No literature references available for this target.
If you have references for this compound, please enter them in a user comment (below) or Contact us.